Molecule card · MolClass #51902
14722198
14722198: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14722198Mitochondrial Fusion · compound_name
- MolClass ID
- 51902
- InChIKey
- TZKPJHBKQZQBFF-UHFFFAOYSA-N
- Canonical SMILES
- NC(=O)c1ccc(c(c1)N2C(=O)C3CC=CCC3(C2(=O)))N4CCCCC4
- Standard InChI
- InChI=1S/C20H23N3O3/c21-18(24)13-8-9-16(22-10-4-1-5-11-22)17(12-13)23-19(25)14-6-2-3-7-15(14)20(23)26/h2-3,8-9,12,14-15H,1,4-7,10-11H2,(H2,21,24)
- Stored Murcko scaffold
- c1ccc(c(c1)N2[CH]C3CC=CCC3[CH]2)N4CCCCC4
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.686
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 14722198